4-(methylamino)adamantane-2,6-dione

C11H15NO2 — CID 551123

IUPAC4-(methylamino)adamantane-2,6-dione
SMILESCNC1C2CC3CC(CC1C3=O)C2=O
InChIInChI=1S/C11H15NO2/c1-12-9-7-3-5-2-6(11(7)14)4-8(9)10(5)13/h5-9,12H,2-4H2,1H3
InChIKeyKRJWKQWLKBFSII-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.39
Rot. Bonds1

About 4-(methylamino)adamantane-2,6-dione

4-(methylamino)adamantane-2,6-dione (PubChem CID 551123) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(methylamino)adamantane-2,6-dione.

Molecular Properties

Compound Name4-(methylamino)adamantane-2,6-dione
PubChem CID551123
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(methylamino)adamantane-2,6-dione
SMILESCNC1C2CC3CC(CC1C3=O)C2=O
InChIInChI=1S/C11H15NO2/c1-12-9-7-3-5-2-6(11(7)14)4-8(9)10(5)13/h5-9,12H,2-4H2,1H3
InChIKeyKRJWKQWLKBFSII-UHFFFAOYSA-N
XLogP0.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)adamantane-2,6-dione?
The IUPAC name of 4-(methylamino)adamantane-2,6-dione (CID 551123) is 4-(methylamino)adamantane-2,6-dione.
What is the SMILES notation for 4-(methylamino)adamantane-2,6-dione?
The canonical SMILES for 4-(methylamino)adamantane-2,6-dione is CNC1C2CC3CC(CC1C3=O)C2=O.
What is the InChIKey of 4-(methylamino)adamantane-2,6-dione?
The InChIKey is KRJWKQWLKBFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-9-7-3-5-2-6(11(7)14)4-8(9)10(5)13/h5-9,12H,2-4H2,1H3.
What are the key properties of 4-(methylamino)adamantane-2,6-dione?
4-(methylamino)adamantane-2,6-dione has a molecular weight of 193.25 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)adamantane-2,6-dione is sourced from PubChem (CID 551123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).